3-(azepane-1-carbonyl)-1-(4-methylphenyl)-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-(4-methylphenyl)-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-(4-methylphenyl)-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M789-0086 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-(4-methylphenyl)-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | Cc1ccc(cc1)N1c2c(cccn2)S(C(C(N2CCCCCC2)=O)=N1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9108 |
| logD: | 2.9108 |
| logSw: | -3.2873 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.58 |
| InChI Key: | PQFVZXDWZXQMHZ-UHFFFAOYSA-N |